* LIGAND DATABASE FILE (OPLS2005)
*
001      78    80    142    213     406
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02073   106.32152    -6.81981
    3     1 S   H    _H1_     3     1.02082    51.60018    94.38255
    4     1 S   H    _H2_     4     1.02113    60.64909  -109.39201
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08491   110.56590    58.77998
   26    24 S   HC   HB22    34     1.08612   109.94660   179.13182
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C17    36     1.84493    97.44839   161.85589
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CM   _C13    37     1.54979   107.74845   159.98283
   38    33 S   CT   _C18    75     1.53790   107.42363   -75.73783
   39    38 S   HC   _H35    76     1.08562   109.25856    60.13979
   40    38 S   HC   _H36    77     1.08555   109.25739   -59.84258
   41    38 S   HC   _H37    78     1.08480   109.27222  -179.85463
   42    37 S   CT   _C16    38     1.54950   119.31539   -87.82417
   43    42 S   HC   _H34    39     1.09716   109.20272  -147.76613
   44    37 S   CMA  _C14    65     1.34825   122.77780    96.99716
   45    44 S   OM   _O20    66     1.26841   124.28564   175.26447
   46    42 S   CA   _C8_    40     1.49793   110.64374    94.37649
   47    42 S   CM   _C10    55     1.49158   110.82659   -28.88583
   48    44 S   OS   _O24    67     1.42159   109.83551    -4.66669
   49    46 S   CA   _C6_    41     1.39520   119.24093   -90.96120
   50    49 S   HA   _H30    42     1.08636   120.61454    -0.09279
   51    47 S   CM   _C11    56     1.32673   123.98873    12.81318
   52    48 S   CT   _C20    68     1.42737   115.96134  -179.97202
   53    52 S   HC   _H41    69     1.09436   108.73299   -59.42386
   54    52 S   HC   _H42    70     1.09424   108.79692    59.30047
   55    49 S   CA   _C4_    43     1.39531   119.96707  -179.95577
   56    55 S   HA   _H28    44     1.08567   119.96564   179.92087
   57    51 S   CT   _C15    57     1.46964   111.70924  -179.68102
   58    57 S   HC   _H32    58     1.09460   112.63919   118.03810
   59    57 S   HC   _H33    59     1.09328   112.69608  -116.65368
   60    33 S   NE   _N19    63     1.46429   108.44627    39.86784
   61    60 S   H    _H44    64     1.01579   118.74922   -71.27019
   62    52 S   CT   _C19    71     1.51344   108.99502   179.98022
   63    62 S   HC   _H38    72     1.09332   110.93062   -60.47932
   64    62 S   HC   _H39    73     1.09562   110.61678    60.43452
   65    62 S   HC   _H40    74     1.09442   110.61021   178.65361
   66    55 S   CA   _C5_    45     1.39470   119.99465    -0.01978
   67    66 S   HA   _H29    46     1.08561   119.97397   179.97202
   68    57 S   OS   _O22    60     1.43694   103.23673     0.74677
   69    66 S   CA   _C7_    47     1.39566   120.01186    -0.01978
   70    69 S   HA   _H31    48     1.08664   119.64661  -179.96574
   71    47 S   CO4  _C12    61     1.46136   129.06556  -165.58615
   72    71 S   O    _O21    62     1.21790   125.84092    -0.52377
   73    46 S   CA   _C9_    49     1.39470   120.72080    89.06559
   74    73 S   OS   _O23    50     1.36201   120.74319     0.02798
   75    74 S   CTHO _C21    51     1.42232   117.34396   150.01151
   76    75 S   F    _F25    52     1.35750   107.52239    90.03300
   77    75 S   F    _F26    53     1.35561   109.16314  -154.73939
   78    75 S   HC   _H43    54     1.09553   113.42161   -30.06457
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  11   5   4   3
  16   2   1   1  18   8   3   2   1  18   7   9   2  13  11   7
   8   4   8   6   5   4   6   3   7   4   3   3   1   3   2   1
   1   5   3   2   4   2   1   1   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    60    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    42    51    60    61    44    38    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    42    43    46    47    51    57    60    61    44    45    48    38    39    40    41  
   35    36  
   36  
    0  
   42    43    46    49    73    47    51    71    60    61    44    45    48    52    38    39    40    41  
   39    40    41    42    44    51    60    61  
   40    41    60  
   41    60  
   60  
   43    46    49    50    55    69    73    74    47    51    57    68    71    72    60    44    45    48  
   46    49    73    47    51    71    44  
   45    48    52    53    54    62    46    47    60  
   48    52  
   49    50    55    56    66    69    70    73    74    75    47    51    71  
   51    57    58    59    68    71    72    60    61    49    73  
   52    53    54    62    63    64    65  
   50    55    56    66    67    69    73    74  
   55    56    66    73  
   57    58    59    68    71    72    60    61  
   53    54    62    63    64    65  
   54    62    63    64    65  
   62    63    64    65  
   56    66    67    69    70    73  
   66    67    69  
   58    59    68    71    72    60    61  
   59    68    71    60  
   68    71    60  
   61    68    71  
    0  
   63    64    65  
   64    65  
   65  
    0  
   67    69    70    73    74  
   69    70    73  
   71    72  
   70    73    74    75  
   73    74  
   72  
    0  
   74    75    76    77    78  
   75    76    77    78  
   76    77    78  
   77    78  
   78  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.402800   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   45   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   46   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5500   0.0760  -0.051000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   3.5000   0.0660   0.259000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   59   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   60   3.2500   0.1700  -0.607000   1.8650   1.6500   0.051222218  -2.220205820
   61   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   73   3.5500   0.0700   0.199600   2.5000   1.7750   0.001000000  -0.843144165
   74   2.9000   0.1400  -0.381100   1.7660   1.5600   0.020110767  -0.896042159
   75   3.5000   0.0660   0.616700   1.9750   1.7500   0.005000000  -0.741685710
   76   2.9500   0.0530  -0.232600   2.4980   2.2250   0.001000000   0.985400000
   77   2.9500   0.0530  -0.232600   2.4980   2.2250   0.001000000   0.985400000
   78   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    60   382.000  1.448
   33    38   268.000  1.529
   37    42   317.000  1.510
   37    44   465.000  1.376
   42    43   340.000  1.090
   42    46   317.000  1.510
   42    47   317.000  1.510
   46    49   469.000  1.400
   46    73   469.000  1.400
   49    50   367.000  1.080
   49    55   469.000  1.400
   55    56   367.000  1.080
   55    66   469.000  1.400
   66    67   367.000  1.080
   66    69   469.000  1.400
   69    70   367.000  1.080
   69    73   469.000  1.400
   73    74   450.000  1.364
   74    75   470.000  1.351
   75    76   455.000  1.355
   75    77   455.000  1.355
   75    78   375.000  1.089
   47    51   549.000  1.340
   47    71   320.000  1.462
   51    57   317.000  1.510
   51    60   425.000  1.378
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    68   320.000  1.410
   68    71   214.000  1.327
   71    72   570.000  1.229
   60    61   434.000  1.010
   44    45   745.000  1.250
   44    48   440.000  1.360
   48    52   320.000  1.410
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    60    80.00000  108.62000
   29    33    38    75.00000  111.63000
   33    37    42    65.00000  117.92700
   33    37    44    70.00000  124.00000
   33    60    51    50.00000  121.00000
   33    60    61    35.00000  112.50000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   37    42    43    35.00000  109.50000
   37    42    46    70.00000  112.99600
   37    42    47    70.00000  110.12100
   37    44    45    65.00000  137.10300
   37    44    48    80.00000  120.01400
   42    46    49    70.00000  120.00000
   42    46    73    70.00000  120.00000
   42    47    51    70.00000  124.00000
   42    47    71    65.00000  116.34900
   46    42    43    35.00000  109.50000
   46    49    50    35.00000  120.00000
   46    49    55    63.00000  120.00000
   46    73    69    63.00000  120.00000
   46    73    74    70.00000  120.00000
   49    55    56    35.00000  120.00000
   49    55    66    63.00000  120.00000
   55    49    50    35.00000  120.00000
   55    66    67    35.00000  120.00000
   55    66    69    63.00000  120.00000
   66    55    56    35.00000  120.00000
   66    69    70    35.00000  120.00000
   66    69    73    63.00000  120.00000
   69    66    67    35.00000  120.00000
   69    73    74    70.00000  120.00000
   73    46    49    63.00000  120.00000
   73    69    70    35.00000  120.00000
   73    74    75    90.00000  114.16000
   74    75    76   110.00000  110.36100
   74    75    77   110.00000  110.36100
   74    75    78    60.00000  110.43500
   77    75    76   110.00000  107.78700
   78    75    76    55.00000  109.56900
   78    75    77    55.00000  109.56900
   47    42    43    35.00000  109.50000
   47    42    46    70.00000  112.99600
   47    51    57    70.00000  124.00000
   47    51    60    70.00000  124.03900
   47    71    68    90.00000  111.29400
   47    71    72    80.00000  123.72100
   51    57    58    35.00000  109.50000
   51    57    59    35.00000  109.50000
   51    57    68    85.00000  110.90400
   51    60    61    35.00000  114.50000
   57    68    71    83.00000  116.90000
   59    57    58    33.00000  107.80000
   68    57    58    35.00000  109.50000
   68    57    59    35.00000  109.50000
   68    71    72    83.00000  123.40000
   71    47    51    65.00000  118.96000
   60    33    37    80.00000  112.42400
   60    51    57    75.00000  116.24600
   44    37    42    70.00000  124.00000
   44    48    52    90.00000  111.18400
   48    44    45    65.00000  121.00000
   48    52    53    35.00000  109.50000
   48    52    54    35.00000  109.50000
   48    52    62    50.00000  109.50000
   52    62    63    37.50000  110.70000
   52    62    64    37.50000  110.70000
   52    62    65    37.50000  110.70000
   54    52    53    33.00000  107.80000
   62    52    53    37.50000  110.70000
   62    52    54    37.50000  110.70000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   38    33    37    70.00000  112.02700
   38    33    60    80.00000  111.61500
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    60   0.01700  1.0 1.0
   24    29    33    60  -0.23550 -1.0 2.0
   24    29    33    60   0.21350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    42   0.30250  1.0 1.0
   29    33    37    42  -0.14950 -1.0 2.0
   29    33    37    42   0.36900  1.0 3.0
   29    33    37    44   0.42700  1.0 1.0
   29    33    37    44  -0.70350 -1.0 2.0
   29    33    37    44  -0.43150  1.0 3.0
   29    33    60    51  -0.12500  1.0 1.0
   29    33    60    51  -0.12500 -1.0 2.0
   29    33    60    51   0.25000  1.0 3.0
   29    33    60    61  -0.12500  1.0 1.0
   29    33    60    61  -0.12500 -1.0 2.0
   29    33    60    61   0.25000  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   33    37    42    43   0.34800  1.0 3.0
   33    37    42    46   0.09700  1.0 1.0
   33    37    42    46   0.15600 -1.0 2.0
   33    37    42    46  -0.50800  1.0 3.0
   33    37    42    47   0.09700  1.0 1.0
   33    37    42    47   0.15600 -1.0 2.0
   33    37    42    47  -0.50800  1.0 3.0
   33    37    44    45   7.00000 -1.0 2.0
   33    37    44    48   7.00000 -1.0 2.0
   37    33    60    51  -0.12500  1.0 1.0
   37    33    60    51  -0.12500 -1.0 2.0
   37    33    60    51   0.25000  1.0 3.0
   37    33    60    61  -0.12500  1.0 1.0
   37    33    60    61  -0.12500 -1.0 2.0
   37    33    60    61   0.25000  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33    38    41   0.15000  1.0 3.0
   37    42    46    49   0.18050 -1.0 2.0
   37    42    46    73   0.18050 -1.0 2.0
   37    42   -47    51  -0.28300  1.0 1.0
   37    42   -47    51   0.26700 -1.0 2.0
   37    42   -47    51  -0.63300  1.0 3.0
   37    42    47    71   0.09700  1.0 1.0
   37    42    47    71   0.15600 -1.0 2.0
   37    42    47    71  -0.50800  1.0 3.0
   37    44    48    52  -2.26850  1.0 1.0
   37    44    48    52   3.39050 -1.0 2.0
   42    37    44    45   7.00000 -1.0 2.0
   42    37    44    48   7.00000 -1.0 2.0
   42    46    49    50   3.62500 -1.0 2.0
   42    46    49    55   3.62500 -1.0 2.0
   42    46    73    69   3.62500 -1.0 2.0
   42    46    73    74   3.62500 -1.0 2.0
   42    47    51    57   7.00000 -1.0 2.0
   42    47    51    60   7.00000 -1.0 2.0
   42    47    71    68  -0.15000  1.0 1.0
   42    47    71    68   0.89550 -1.0 2.0
   42    47    71    68  -0.06900  1.0 3.0
   42    47    71    72  -0.64400  1.0 1.0
   42    47    71    72   0.26850 -1.0 2.0
   43    42    46    49   0.00000  1.0 1.0
   43    42    46    73   0.00000  1.0 1.0
   43    42    47    51   0.00000  1.0 1.0
   43    42    47    71   0.15000  1.0 3.0
   46    42    47    51   1.44450  1.0 1.0
   46    42    47    51   0.06600 -1.0 2.0
   46    42    47    51   0.29250  1.0 3.0
   46    42    47    71   0.09700  1.0 1.0
   46    42    47    71   0.15600 -1.0 2.0
   46    42    47    71  -0.50800  1.0 3.0
   46    49    55    56   3.62500 -1.0 2.0
   46    49    55    66   3.62500 -1.0 2.0
   46    73    74    75   1.11600 -1.0 2.0
   49    46    73    69   3.62500 -1.0 2.0
   49    46    73    74   3.62500 -1.0 2.0
   49    55    66    67   3.62500 -1.0 2.0
   49    55   -66    69   3.62500 -1.0 2.0
   50    49    55    56   3.62500 -1.0 2.0
   50    49    55    66   3.62500 -1.0 2.0
   55    66    69    70   3.62500 -1.0 2.0
   55    66    69    73   3.62500 -1.0 2.0
   56    55    66    67   3.62500 -1.0 2.0
   56    55    66    69   3.62500 -1.0 2.0
   66    69   -73    46   3.62500 -1.0 2.0
   66    69    73    74   3.62500 -1.0 2.0
   67    66    69    70   3.62500 -1.0 2.0
   67    66    69    73   3.62500 -1.0 2.0
   69    73    74    75   1.11600 -1.0 2.0
   70    69    73    46   3.62500 -1.0 2.0
   70    69    73    74   3.62500 -1.0 2.0
   73    46    49    50   3.62500 -1.0 2.0
   73    46   -49    55   3.62500 -1.0 2.0
   73    74    75    76   0.73750  1.0 1.0
   73    74    75    76  -2.02850 -1.0 2.0
   73    74    75    76   0.37850  1.0 3.0
   73    74    75    77   0.73750  1.0 1.0
   73    74    75    77  -2.02850 -1.0 2.0
   73    74    75    77   0.37850  1.0 3.0
   73    74    75    78   0.08050  1.0 3.0
   47    42    46    49   0.18050 -1.0 2.0
   47    42    46    73   0.18050 -1.0 2.0
   47    51    57    58   0.00000  1.0 1.0
   47    51    57    59   0.00000  1.0 1.0
   47    51   -57    68   0.39000  1.0 1.0
   47    51   -57    68  -0.05800 -1.0 2.0
   47    51   -57    68  -0.55150  1.0 3.0
   47    51   -60    33  -0.54700  1.0 1.0
   47    51   -60    33   1.23000 -1.0 2.0
   47    51    60    61   1.00000 -1.0 2.0
   51    47   -71    68  -0.56150  1.0 1.0
   51    47   -71    68   2.19150 -1.0 2.0
   51    47    71    72   1.00000 -1.0 2.0
   51    57   -68    71  -0.82050  1.0 1.0
   51    57   -68    71   0.00600 -1.0 2.0
   51    57   -68    71   0.04400  1.0 3.0
   57    51    60    33   1.00000 -1.0 2.0
   57    51    60    61   2.40850 -1.0 2.0
   57    68   -71    47   2.00000 -1.0 2.0
   57    68    71    72   3.00000 -1.0 2.0
   58    57    68    71   0.08050  1.0 3.0
   59    57    68    71   0.08050  1.0 3.0
   71    47   -51    57   7.00000 -1.0 2.0
   71    47    51    60   7.00000 -1.0 2.0
   60    33   -37    42   0.09700  1.0 1.0
   60    33   -37    42   0.15600 -1.0 2.0
   60    33   -37    42  -0.50800  1.0 3.0
   60    33    37    44   0.62150  1.0 1.0
   60    33    37    44   0.42850 -1.0 2.0
   60    33    37    44  -0.68200  1.0 3.0
   60    33    38    39   0.22950  1.0 3.0
   60    33    38    40   0.22950  1.0 3.0
   60    33    38    41   0.22950  1.0 3.0
   60    51    57    58  -0.18050  1.0 3.0
   60    51    57    59  -0.18050  1.0 3.0
   60    51    57    68   0.09700  1.0 1.0
   60    51    57    68   0.15600 -1.0 2.0
   60    51    57    68  -0.50800  1.0 3.0
   44    37    42    43   0.00000  1.0 1.0
   44    37    42    46   1.44450  1.0 1.0
   44    37    42    46   0.06600 -1.0 2.0
   44    37    42    46   0.29250  1.0 3.0
   44    37    42    47  -0.28300  1.0 1.0
   44    37    42    47   0.26700 -1.0 2.0
   44    37    42    47  -0.63300  1.0 3.0
   44    48    52    53   0.08050  1.0 3.0
   44    48    52    54   0.08050  1.0 3.0
   44    48    52    62  -0.46850  1.0 1.0
   44    48    52    62   0.09300 -1.0 2.0
   44    48    52    62  -0.12850  1.0 3.0
   45    44    48    52   2.00000 -1.0 2.0
   48    52    62    63   0.23400  1.0 3.0
   48    52    62    64   0.23400  1.0 3.0
   48    52    62    65   0.23400  1.0 3.0
   53    52    62    63   0.15000  1.0 3.0
   53    52    62    64   0.15000  1.0 3.0
   53    52    62    65   0.15000  1.0 3.0
   54    52    62    63   0.15000  1.0 3.0
   54    52    62    64   0.15000  1.0 3.0
   54    52    62    65   0.15000  1.0 3.0
   38    33    37    42   0.46850  1.0 1.0
   38    33    37    42   0.08550 -1.0 2.0
   38    33    37    42   0.09800  1.0 3.0
   38    33    37    44   0.09850  1.0 1.0
   38    33    37    44   0.15250 -1.0 2.0
   38    33    37    44  -0.50650  1.0 3.0
   38    33    60    51   0.25450  1.0 1.0
   38    33    60    51  -0.61700 -1.0 2.0
   38    33    60    51  -0.23550  1.0 3.0
   38    33    60    61   0.00000  1.0 1.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   33    42    37    44   1.10000 -1.0 2.0
   49    73    46    42   4.00000 -1.0 2.0
   55    50    49    46   1.10000 -1.0 2.0
   66    56    55    49   1.10000 -1.0 2.0
   69    67    66    55   1.10000 -1.0 2.0
   73    70    69    66   1.10000 -1.0 2.0
   69    74    73    46   4.00000 -1.0 2.0
   42    71    47    51   1.10000 -1.0 2.0
   57    60    51    47   1.10000 -1.0 2.0
   47    68    71    72  10.50000 -1.0 2.0
   61    51    60    33   1.00000 -1.0 2.0
   45    48    44    37   1.10000 -1.0 2.0
END
